SCHEMBL3036435

SCHEMBL3036435

CC1(C)OCc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.43
PNMT P11086 4/20 0.36
ADRA2A P08913 3/20 0.36
ADRA2B P18089 3/20 0.36
ADRA2C P18825 3/20 0.36
TDP2 O95551 1/20 0.36
ASIC3 Q9UHC3 1/20 0.35
CMA1 P23946 1/20 0.34
AHR P35869 1/20 0.34
BRD4 O60885 1/20 0.34
PGR P06401 2/20 0.34
METAP1 P53582 1/20 0.33
HSD17B3 P37058 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL309789 0.86 KDM1A (0.36) SLC6A4PNMTADRA2AADRA2BADRA2C
SCHEMBL21175387 0.81 PNMT (0.37) SLC6A4PNMTADRA2AADRA2BADRA2C
SCHEMBL17193806 0.78 CYP3A4 (0.36) PGRMETAP1
SCHEMBL19616863 0.78 SLC6A4 (0.39) SLC6A4PNMTADRA2AADRA2BADRA2C
SCHEMBL20068362 0.77 TDP2 (0.36) PNMTADRA2AADRA2BADRA2CTDP2
SCHEMBL31430262 0.77 SLC6A4 (0.40) SLC6A4PNMTTDP2ASIC3CMA1
SCHEMBL17193999 0.77 PGR (0.44) SLC6A4PGR
SCHEMBL17665728 0.77 LMNA (0.38) SLC6A4PGRHSD17B3
SCHEMBL31394524 0.74 SLC6A4 (0.39) SLC6A4PNMTADRA2AADRA2BADRA2C
SCHEMBL12491421 0.74 DRD2 (0.41) SLC6A4METAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663630-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR LG Chem, Ltd. (KR) 2025-12-17 EP disclosed
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2025-06-26 US disclosed
EP-4509507-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND Chengdu Hyperway Pharmaceuticals Co., Ltd. (CN) 2025-02-19 EP disclosed
US-12225904-B2 Phenylpyrazole compound and method for controlling plant disease SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2025-02-18 US disclosed
CN-118812517-A Antitumor compounds as UPR agonists and uses thereof 南京圣和药业股份有限公司 2024-10-22 CN disclosed
WO-2024201308-A1 NOVEL BENZIMIDAZOLONE DERIVATIVE COMPOUND AS AUTOTAXIN INHIBITOR 주식회사 엘지화학 2024-10-03 WO disclosed
WO-2023197984-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND 成都海博为药业有限公司 2023-10-19 WO disclosed
CN-116891488-A Condensed-cyclic compound, pharmaceutical composition containing condensed-cyclic compound and application of condensed-cyclic compound 成都海博为药业有限公司 2023-10-17 CN disclosed
CN-112839505-B Phenylpyrazole compound and method for controlling plant disease 住友化学株式会社 2023-06-06 CN disclosed
US-20210321614-A1 PHENYLPYRAZOLE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-21 US disclosed
US-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-06 US disclosed
US-8987445-B2 Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-03-24 US disclosed
WO-2014086316-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-06-12 WO disclosed
WO-2014086316-A1 SUBSTITUTED PYRIDOPYRAZINES AS SYK INHIBITORS HUTCHISON MEDIPHARMA LIMITED (CN) 2014-06-12 WO disclosed
EP-2686302-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY Mitsubishi Tanabe Pharma Corporation (JP) 2014-01-22 EP disclosed
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY KALLYOPE, INC. 2014-01-02 US disclosed
WO-2012124825-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-20 WO disclosed
EP-2393811-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES Pfizer Inc. (US) 2011-12-14 EP disclosed
WO-2010089686-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC. (US) 2010-08-12 WO disclosed
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES PFIZER INC 2010-08-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100197591-A1 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES CDK7, DPYD, DHFR SLC6A4 2037/4885PNMT 2515/4885ADRA2A 641/4885
US-12225904-B2 Phenylpyrazole compound and method for controlling plant disease HRH3, H1-3, HRH4 SLC6A4 3627/4885PNMT 173/4885ADRA2A 2458/4885
US-20150218143-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 SLC6A4 417/4885PNMT 4014/4885ADRA2A 795/4885
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND KRAS, NRAS, HRAS SLC6A4 3151/4885PNMT 4018/4885ADRA2A 3775/4885
US-20140005393-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY TRPM8, TRPM7, TRPM2 SLC6A4 397/4885PNMT 4071/4885ADRA2A 783/4885
US-20210321614-A1 PHENYLPYRAZOLE COMPOUND AND METHOD FOR CONTROLLING PLANT DISEASE HRH3, H1-3, HRH4 SLC6A4 3627/4885PNMT 173/4885ADRA2A 2458/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.